3-prop-2-enoxy-1-propoxybutane

C10H20O2 — CID 173418975

IUPAC3-prop-2-enoxy-1-propoxybutane
SMILESC=CCOC(C)CCOCCC
InChIInChI=1S/C10H20O2/c1-4-7-11-9-6-10(3)12-8-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyHOQZKVRHASTPPN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds8

About 3-prop-2-enoxy-1-propoxybutane

3-prop-2-enoxy-1-propoxybutane (PubChem CID 173418975) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-prop-2-enoxy-1-propoxybutane.

Molecular Properties

Compound Name3-prop-2-enoxy-1-propoxybutane
PubChem CID173418975
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-prop-2-enoxy-1-propoxybutane
SMILESC=CCOC(C)CCOCCC
InChIInChI=1S/C10H20O2/c1-4-7-11-9-6-10(3)12-8-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyHOQZKVRHASTPPN-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-propoxybutane
CID 89015567
3-butoxy-1-propoxybutane
CID 57175368
2-prop-2-enoxyheptane
CID 142701865
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
1-(4-ethenoxybutoxy)-3-ethoxybutane
CID 146579743
3-methyl-1-propoxypentane
CID 123388243
N-ethyl-4-prop-2-enoxypentan-1-amine
CID 62442488
1-(3-dodecoxybutoxy)dodecane
CID 173358855
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
1-propoxyoct-7-en-3-ol
CID 105102038
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-1-propoxybutane?
The IUPAC name of 3-prop-2-enoxy-1-propoxybutane (CID 173418975) is 3-prop-2-enoxy-1-propoxybutane.
What is the SMILES notation for 3-prop-2-enoxy-1-propoxybutane?
The canonical SMILES for 3-prop-2-enoxy-1-propoxybutane is C=CCOC(C)CCOCCC.
What is the InChIKey of 3-prop-2-enoxy-1-propoxybutane?
The InChIKey is HOQZKVRHASTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-11-9-6-10(3)12-8-5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 3-prop-2-enoxy-1-propoxybutane?
3-prop-2-enoxy-1-propoxybutane has a molecular weight of 172.27 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-1-propoxybutane is sourced from PubChem (CID 173418975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).